6-ethylsulfanylhexane-1-thiol

C8H18S2 — CID 23423869

IUPAC6-ethylsulfanylhexane-1-thiol
SMILESCCSCCCCCCS
InChIInChI=1S/C8H18S2/c1-2-10-8-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyCTHIBZGVFNFCBA-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.23
Rot. Bonds7

About 6-ethylsulfanylhexane-1-thiol

6-ethylsulfanylhexane-1-thiol (PubChem CID 23423869) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol. Its IUPAC name is 6-ethylsulfanylhexane-1-thiol.

Molecular Properties

Compound Name6-ethylsulfanylhexane-1-thiol
PubChem CID23423869
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name6-ethylsulfanylhexane-1-thiol
SMILESCCSCCCCCCS
InChIInChI=1S/C8H18S2/c1-2-10-8-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyCTHIBZGVFNFCBA-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-pentylsulfanylnonane-1-thiol
CID 107766456
1-ethylsulfanyltetradecane
CID 20788610
1-ethylsulfanyldodecane
CID 534448
7-ethylsulfanylheptan-1-amine
CID 153391280
5-prop-2-enylsulfanylpentane-1-thiol
CID 130508037
22-methylsulfanyldocosane-1-thiol
CID 153338809
11-sulfanylundecyl thiohypofluorite
CID 126693297
2-dodecylsulfanylethanethiol
CID 19846581
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515
4-(2-methylpropylsulfanyl)butane-1-thiol
CID 57461880
tris(2-dodecylsulfanylethanethiol);stibane
CID 173397568
N,N-diethyl-5-ethylsulfanylpentan-1-amine
CID 154243338

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanylhexane-1-thiol?
The IUPAC name of 6-ethylsulfanylhexane-1-thiol (CID 23423869) is 6-ethylsulfanylhexane-1-thiol.
What is the SMILES notation for 6-ethylsulfanylhexane-1-thiol?
The canonical SMILES for 6-ethylsulfanylhexane-1-thiol is CCSCCCCCCS.
What is the InChIKey of 6-ethylsulfanylhexane-1-thiol?
The InChIKey is CTHIBZGVFNFCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2/c1-2-10-8-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 6-ethylsulfanylhexane-1-thiol?
6-ethylsulfanylhexane-1-thiol has a molecular weight of 178.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanylhexane-1-thiol is sourced from PubChem (CID 23423869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).